4-[4-[4-(6-methoxy-1-benzothiophen-3-yl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[4-[4-(6-methoxy-1-benzothiophen-3-yl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-[4-[4-(6-methoxybenzothiophen-3-yl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one CAS Name: 4-[4-[4-(6-methoxy-1-benzothiophen-3-yl)-1-piperazinyl]phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 4-[4-[4-(6-methoxy-1-benzothiophen-3-yl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-[4-[4-(6-methoxybenzothiophen-3-yl)piperazino]phenyl]-1H-1,2,4-triazol-5-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CS2)N3CCN(CC3)C4=CC=C(C=C4)N5C=NNC5=O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CS2)N3CCN(CC3)C4=CC=C(C=C4)N5C=NNC5=O

InChI

InChI=1S/C21H21N5O2S/c1-28-17-6-7-18-19(13-29-20(18)12-17)25-10-8-24(9-11-25)15-2-4-16(5-3-15)26-14-22-23-21(26)27/h2-7,12-14H,8-11H2,1H3,(H,23,27)